CID 294134

Piperonylamino-2-oxazoline

Structural Information

Molecular Formula
C11H12N2O3
SMILES
C1COC(=N1)NCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H12N2O3/c1-2-9-10(16-7-15-9)5-8(1)6-13-11-12-3-4-14-11/h1-2,5H,3-4,6-7H2,(H,12,13)
InChIKey
NBWNWJCBQUUGFL-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 146.0
[M+Na]+ 243.07402 157.4
[M+NH4]+ 238.11862 154.3
[M+K]+ 259.04796 156.3
[M-H]- 219.07752 153.0
[M+Na-2H]- 241.05947 150.5
[M]+ 220.08425 149.5
[M]- 220.08535 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.